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A class for storage of numerical x- and y-value pairs and optional error for y-values.

Active bindings

name

The name of the DataSet

dataRepository

The underlying DataRepository object

xDimension

Dimension in which the xValues are defined

xUnit

Unit in which the xValues are defined

xValues

Values stored in the xUnit. This field is read-only. Use $setValues() to change the values.

yDimension

Dimension in which the yValues are defined

yUnit

Unit in which the yValues are defined

yValues

Values stored in the yUnit. This field is read-only. Use $setValues() to change the values.

yErrorType

Type of the error - geometric or arithmetic. When changing from arithmetic to geometric error, the values are considered in as fraction (1 = 100%). When changing from geometric to arithmetic, the values are set to the same unit as yErrorUnit. In case no yError is defined, the value is NULL and cannot be changed

yErrorUnit

Unit in which the yErrorValues are defined. For arithmetic error, the unit must be valid for yDimension. For geometric error, the unit must be valid for Dimensionless. In case no yError is defined, the value is NULL and cannot be changed

yErrorValues

Values of error stored in the yErrorUnit unit. This field is read-only. Use $setValues() to change the values. In case no yError is defined, the value is NULL and cannot be changed. Use $setValues() to change the values.

molWeight

Molecular weight of the yValues in g/mol

LLOQ

Lower Limit Of Quantification. Value in yUnit associated with the yValues

metaData

Returns a named list of meta data defined for the data set.

Methods

Inherited methods


    Method new()

    Initialize a new instance of the class. Either create a DataSet from a DataRepository (e.g. loaded from a PKML) or an empty DataSet. In case of an empty DataSet, a name must be provided.

    Usage

    DataSet$new(name = NULL, dataRepository = NULL)

    Arguments

    name

    Name of the DataSet if created from scratch (no dataRepository) provided. Ignored if dataRepository is not NULL.

    dataRepository

    Instance of the DataRepository object to wrap. If NULL, an empty DataRepository is created.

    Returns

    A new DataSet object.


    Method addMetaData()

    Adds a new entry to meta data list or changes its value if the name is already present.

    Usage

    DataSet$addMetaData(name, value)

    Arguments

    name

    Name of new meta data list entry

    value

    Value of new meta data list entry


    Method removeMetaData()

    Removes the meta data entry in the list if one is defined with this name

    Usage

    DataSet$removeMetaData(name)

    Arguments

    name

    Name of meta data entry to delete


    Method setValues()

    Sets the xValues, yValues, and (optionally) yErrorValuues into the dataSet. Note: xValues, yValues and yErrorValues must have the same length

    Usage

    DataSet$setValues(xValues, yValues, yErrorValues = NULL)

    Arguments

    xValues

    xValues to use

    yValues

    yValues to use

    yErrorValues

    Optional error values associated with yValues


    Method print()

    Print the object to the console

    Usage

    DataSet$print(...)

    Arguments

    ...

    Rest arguments.